SCHEMBL566085

SCHEMBL566085

CC(=O)OCCOc1ncccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SSTR4 P31391 1/20 0.44
PDE4B Q07343 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ELANE P08246 4/20 0.41
HCRTR2 O43614 1/20 0.40
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29174339 0.79 GRM4 (0.41) ALDH1A1MEN1CYP1A2CYP3A4KMT2A
SCHEMBL1291219 0.79 ELANE (0.44) KDM4EALDH1A1SSTR4PDE4AELANE
SCHEMBL564714 0.79 HPGD (0.43) KDM4EALDH1A1SSTR4ELANEHCRTR2
SCHEMBL7989284 0.78 SMN1; SMN2 (0.52) KDM4EALDH1A1PDE4BMEN1KMT2A
SCHEMBL3082319 0.77 ALDH1A1 (0.48) KDM4EALDH1A1SSTR4ELANEMEN1
SCHEMBL3589251 0.76 HPGD (0.47) KDM4EALDH1A1SSTR4ELANECYP1A2
SCHEMBL15303617 0.76 KDM4E (0.50) KDM4EALDH1A1SSTR4HCRTR2
SCHEMBL3432978 0.75 NPC1 (0.43) KDM4EALDH1A1SSTR4ELANEHCRTR2
SCHEMBL3803808 0.75 NPC1 (0.43) KDM4EALDH1A1SSTR4HCRTR2CYP1A2
SCHEMBL249966 0.75 L3MBTL1 (0.49) KDM4EALDH1A1SSTR4HCRTR2CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499570-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-11-22 US disclosed
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-12-31 US disclosed
US-9145429-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-09-29 US disclosed
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-07-17 US disclosed
US-8716478-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 KDM4E 3959/4885ALDH1A1 3735/4885SSTR4 1822/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 KDM4E 3959/4885ALDH1A1 3735/4885SSTR4 1822/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 KDM4E 3959/4885ALDH1A1 3735/4885SSTR4 1822/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.